Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C26H24N2O4/c29-25(31-16-18-9-3-1-4-10-18)23-15-21-20-13-7-8-14-22(20)27-24(21)28(23)26(30)32-17-19-11-5-2-6-12-19/h1-14,21,23-24,27H,15-17H2/t21?,23-,24?/m0/s1
SMILES O=C([C@@H]1CC2C(N1C(=O)OCc1ccccc1)Nc1c2cccc1)OCc1ccccc1
InChI Key IWQYTEBCKPBBGO-RZMWZJFBSA-N
Molecular Formula C26H24N2O4
Exact Mass 428.480 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IWQYTEBCKPBBGO-RZMWZJFBSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IWQYTEBCKPBBGO-RZMWZJFBSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:15.859658
MetadataModified 2024-09-07T15:14:07.019766
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.655.775E Nikkaji
58500178 PubChem
SCHEMBL12118590 SureChEMBL
The data in this table is sourced from UniChem at EBI.